*HEADER    METAL BINDING PROTEIN/DNA               08-OCT-13   2MF8              
*TITLE     HADDOCK MODEL OF MYT1 F4F5 - DNA COMPLEX                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MYELIN TRANSCRIPTION FACTOR 1;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 792-880;                                      
*COMPND   5 SYNONYM: MYT1, NEURAL ZINC FINGER FACTOR 2, NZF-2;                   
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: DNA (5'-D(*AP*CP*CP*GP*AP*AP*AP*GP*TP*TP*CP*AP*C)-3');     
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 ENGINEERED: YES;                                                     
*COMPND  11 MOL_ID: 3;                                                           
*COMPND  12 MOLECULE: DNA (5'-D(*GP*TP*GP*AP*AP*CP*TP*TP*TP*CP*GP*GP*T)-3');     
*COMPND  13 CHAIN: C;                                                            
*COMPND  14 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 ORGANISM_TAXID: 10090;                                               
*SOURCE   5 GENE: MYT1, KIAA0835, NZF2;                                          
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 MOL_ID: 2;                                                           
*SOURCE   9 SYNTHETIC: YES;                                                      
*SOURCE  10 MOL_ID: 3;                                                           
*SOURCE  11 SYNTHETIC: YES                                                       
*KEYWDS    MYT1, ZINC FINGER, METAL BINDING PROTEIN-DNA COMPLEX                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    1                                                                     
*AUTHOR    R.GAMSJAEGER, M.R.O'CONNELL, L.CUBEDDU, N.E.SHEPHERD, J.A.LOWRY,      
*AUTHOR   2 A.H.KWAN, M.VANDEVENNE, M.K.SWANTON, J.M.MATTHEWS, J.P.MACKAY        
*REVDAT   1   06-NOV-13 2MF8    0                                                


!
! HADDOCK AIR restraints for F4 and F5
! F4
!
! HIS 812
assign ( resid 812  and segid A and name NE2)
       (
        ( resid 6  and segid B and name H* and not name *')
     or
        ( resid 7  and segid B and name H* and not name *')
     or
        ( resid 20  and segid B and name H* and not name *')
     or
        ( resid 21  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 812  and segid A and name ND1)
       (
        ( resid 6  and segid B and name H* and not name *')
     or
        ( resid 7  and segid B and name H* and not name *')
     or
        ( resid 20  and segid B and name H* and not name *')
     or
        ( resid 21  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 812  and segid A and name HE2)
       (
        ( resid 6  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 7  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 20  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 21  and segid B and (name O* or name N*) and not name *')
       )  2.0 2.0 0.0
!
! TYR 817
assign ( resid 817  and segid A and name OH)
       (
        ( resid 6  and segid B and name H* and not name *')
     or
        ( resid 7  and segid B and name H* and not name *')
     or
        ( resid 20  and segid B and name H* and not name *')
     or
        ( resid 21  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 817  and segid A and name HH)
       (
        ( resid 6  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 7  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 20  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 21  and segid B and (name O* or name N*) and not name *')
       )  2.0 2.0 0.0
!
! SER 819
assign ( resid 819  and segid A and name OG)
       (
        ( resid 6  and segid B and name H* and not name *')
     or
        ( resid 7  and segid B and name H* and not name *')
     or
        ( resid 20  and segid B and name H* and not name *')
     or
        ( resid 21  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 819  and segid A and name HG)
       (
        ( resid 6  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 7  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 20  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 21  and segid B and (name O* or name N*) and not name *')
       )  2.0 2.0 0.0
!
! ARG 821
assign ( resid 821  and segid A and name NE)
       (
        ( resid 6  and segid B and name H* and not name *')
     or
        ( resid 7  and segid B and name H* and not name *')
     or
        ( resid 20  and segid B and name H* and not name *')
     or
        ( resid 21  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 821  and segid A and name HE)
       (
        ( resid 6  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 7  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 20  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 21  and segid B and (name O* or name N*) and not name *')
       )  2.0 2.0 0.0
!
! SER 822
assign ( resid 822  and segid A and name OG)
       (
        ( resid 6  and segid B and name H* and not name *')
     or
        ( resid 7  and segid B and name H* and not name *')
     or
        ( resid 20  and segid B and name H* and not name *')
     or
        ( resid 21  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 822  and segid A and name HG)
       (
        ( resid 6  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 7  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 20  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 21  and segid B and (name O* or name N*) and not name *')
       )  2.0 2.0 0.0
!
! LEU 823
assign ( resid 823  and segid A and name HD*)
       (
        ( resid 20  and segid B and name C7)
     or
        ( resid 21  and segid B and name C7)
       )  2.0 2.0 0.0
!
! SER 824
assign ( resid 824  and segid A and name OG)
       (
        ( resid 6  and segid B and name H* and not name *')
     or
        ( resid 7  and segid B and name H* and not name *')
     or
        ( resid 20  and segid B and name H* and not name *')
     or
        ( resid 21  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 824  and segid A and name HG)
       (
        ( resid 6  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 7  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 20  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 21  and segid B and (name O* or name N*) and not name *')
       )  2.0 2.0 0.0
!
!F5
!
! HIS 856
assign ( resid 856  and segid A and name NE2)
       (
        ( resid 6  and segid B and name H* and not name *')
     or
        ( resid 7  and segid B and name H* and not name *')
     or
        ( resid 20  and segid B and name H* and not name *')
     or
        ( resid 21  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 856  and segid A and name ND1)
       (
        ( resid 6  and segid B and name H* and not name *')
     or
        ( resid 7  and segid B and name H* and not name *')
     or
        ( resid 20  and segid B and name H* and not name *')
     or
        ( resid 21  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 856  and segid A and name HE2)
       (
        ( resid 6  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 7  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 20  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 21  and segid B and (name O* or name N*) and not name *')
       )  2.0 2.0 0.0
!
! TYR 861
assign ( resid 861  and segid A and name OH)
       (
        ( resid 6  and segid B and name H* and not name *')
     or
        ( resid 7  and segid B and name H* and not name *')
     or
        ( resid 20  and segid B and name H* and not name *')
     or
        ( resid 21  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 861  and segid A and name HH)
       (
        ( resid 6  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 7  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 20  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 21  and segid B and (name O* or name N*) and not name *')
       )  2.0 2.0 0.0
!
! SER 863
assign ( resid 863  and segid A and name OG)
       (
        ( resid 9  and segid B and name H* and not name *')
     or
        ( resid 10  and segid B and name H* and not name *')
     or
        ( resid 17  and segid B and name H* and not name *')
     or
        ( resid 18  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 863  and segid A and name HG)
       (
        ( resid 9  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 10  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 17  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 18  and segid B and (name O* or name N*) and not name *')
       )  2.0 2.0 0.0
!
! ARG 865
assign ( resid 865  and segid A and name HE)
       (
        ( resid 9  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 10  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 17  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 18  and segid B and (name O* or name N*) and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 865  and segid A and name NE)
       (
        ( resid 9  and segid B and name H* and not name *')
     or
        ( resid 10  and segid B and name H* and not name *')
     or
        ( resid 17  and segid B and name H* and not name *')
     or
        ( resid 18  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
! SER 866
assign ( resid 866  and segid A and name OG)
       (
        ( resid 9  and segid B and name H* and not name *')
     or
        ( resid 10  and segid B and name H* and not name *')
     or
        ( resid 17  and segid B and name H* and not name *')
     or
        ( resid 18  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 866  and segid A and name HG)
       (
        ( resid 9  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 10  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 17  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 18  and segid B and (name O* or name N*) and not name *')
       )  2.0 2.0 0.0
!
! LEU 867
assign ( resid 867  and segid A and name HD*)
       (
        ( resid 9  and segid B and name C7)
     or
        ( resid 10  and segid B and name C7)
       )  2.0 2.0 0.0
!
! SER 868
assign ( resid 868  and segid A and name OG)
       (
        ( resid 9  and segid B and name H* and not name *')
     or
        ( resid 10  and segid B and name H* and not name *')
     or
        ( resid 17  and segid B and name H* and not name *')
     or
        ( resid 18  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 868  and segid A and name HG)
       (
        ( resid 9  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 10  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 17  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 18  and segid B and (name O* or name N*) and not name *')
       )  2.0 2.0 0.0
!
!
! HADDOCK AIR restraints for RARE - modified for specificity
!
!
! ADE 6
assign ( resid 6  and segid B and name N6)
       (
        ( resid 812  and segid A and name H*)
     or
        ( resid 817  and segid A and name H*)
     or
        ( resid 819  and segid A and name H*)
     or
        ( resid 821  and segid A and name H*)
     or
        ( resid 822  and segid A and name H*)
     or
        ( resid 823  and segid A and name H*)
     or
        ( resid 824  and segid A and name H*)
       )  2.0 2.0 0.0
!
assign ( resid 6  and segid B and name H6#)
       (
        ( resid 812  and segid A and (name O* or name N*))
     or
        ( resid 817  and segid A and (name O* or name N*))
     or
        ( resid 819  and segid A and (name O* or name N*))
     or
        ( resid 821  and segid A and (name O* or name N*))
     or
        ( resid 822  and segid A and (name O* or name N*))
     or
        ( resid 823  and segid A and (name O* or name N*))
     or
        ( resid 824  and segid A and (name O* or name N*))
       )  2.0 2.0 0.0
!
! ADE 7
assign ( resid 7  and segid B and name N6)
       (
        ( resid 812  and segid A and name H*)
     or
        ( resid 817  and segid A and name H*)
     or
        ( resid 819  and segid A and name H*)
     or
        ( resid 821  and segid A and name H*)
     or
        ( resid 822  and segid A and name H*)
     or
        ( resid 823  and segid A and name H*)
     or
        ( resid 824  and segid A and name H*)
       )  2.0 2.0 0.0
!
assign ( resid 7  and segid B and name H6#)
       (
        ( resid 812  and segid A and (name O* or name N*))
     or
        ( resid 817  and segid A and (name O* or name N*))
     or
        ( resid 819  and segid A and (name O* or name N*))
     or
        ( resid 821  and segid A and (name O* or name N*))
     or
        ( resid 822  and segid A and (name O* or name N*))
     or
        ( resid 823  and segid A and (name O* or name N*))
     or
        ( resid 824  and segid A and (name O* or name N*))
       )  2.0 2.0 0.0
!
! THY 20
assign ( resid 20  and segid B and name N6)
       (
        ( resid 812  and segid A and name H*)
     or
        ( resid 817  and segid A and name H*)
     or
        ( resid 819  and segid A and name H*)
     or
        ( resid 821  and segid A and name H*)
     or
        ( resid 822  and segid A and name H*)
     or
        ( resid 823  and segid A and name H*)
     or
        ( resid 824  and segid A and name H*)
       )  2.0 2.0 0.0
!
assign ( resid 20  and segid B and name H3)
       (
        ( resid 812  and segid A and (name O* or name N*))
     or
        ( resid 817  and segid A and (name O* or name N*))
     or
        ( resid 819  and segid A and (name O* or name N*))
     or
        ( resid 821  and segid A and (name O* or name N*))
     or
        ( resid 822  and segid A and (name O* or name N*))
     or
        ( resid 823  and segid A and (name O* or name N*))
     or
        ( resid 824  and segid A and (name O* or name N*))
       )  2.0 2.0 0.0
!
assign ( resid 20  and segid B and name C7)
       (
        ( resid 812  and segid A and name H*)
     or
        ( resid 817  and segid A and name H*)
     or
        ( resid 819  and segid A and name H*)
     or
        ( resid 821  and segid A and name H*)
     or
        ( resid 822  and segid A and name H*)
     or
        ( resid 823  and segid A and name H*)
     or
        ( resid 824  and segid A and name H*)
       )  2.0 2.0 0.0
!
! THY 21
assign ( resid 21  and segid B and name O4)
       (
        ( resid 812  and segid A and name H*)
     or
        ( resid 817  and segid A and name H*)
     or
        ( resid 819  and segid A and name H*)
     or
        ( resid 821  and segid A and name H*)
     or
        ( resid 822  and segid A and name H*)
     or
        ( resid 823  and segid A and name H*)
     or
        ( resid 824  and segid A and name H*)
       )  2.0 2.0 0.0
!
assign ( resid 21  and segid B and name H3)
       (
        ( resid 812  and segid A and (name O* or name N*))
     or
        ( resid 817  and segid A and (name O* or name N*))
     or
        ( resid 819  and segid A and (name O* or name N*))
     or
        ( resid 821  and segid A and (name O* or name N*))
     or
        ( resid 822  and segid A and (name O* or name N*))
     or
        ( resid 823  and segid A and (name O* or name N*))
     or
        ( resid 824  and segid A and (name O* or name N*))
       )  2.0 2.0 0.0
!
assign ( resid 21  and segid B and name C7)
       (
        ( resid 812  and segid A and name H*)
     or
        ( resid 817  and segid A and name H*)
     or
        ( resid 819  and segid A and name H*)
     or
        ( resid 821  and segid A and name H*)
     or
        ( resid 822  and segid A and name H*)
     or
        ( resid 823  and segid A and name H*)
     or
        ( resid 824  and segid A and name H*)
       )  2.0 2.0 0.0
!
! ADE 17
assign ( resid 17  and segid B and name N6)
       (
        ( resid 856  and segid A and name H*)
     or
        ( resid 861  and segid A and name H*)
     or
        ( resid 863  and segid A and name H*)
     or
        ( resid 865  and segid A and name H*)
     or
        ( resid 866  and segid A and name H*)
     or
        ( resid 867  and segid A and name H*)
     or
        ( resid 868  and segid A and name H*)
       )  2.0 2.0 0.0
!
assign ( resid 17  and segid B and name H6#)
       (
        ( resid 856  and segid A and (name O* or name N*))
     or
        ( resid 861  and segid A and (name O* or name N*))
     or
        ( resid 863  and segid A and (name O* or name N*))
     or
        ( resid 865  and segid A and (name O* or name N*))
     or
        ( resid 866  and segid A and (name O* or name N*))
     or
        ( resid 867  and segid A and (name O* or name N*))
     or
        ( resid 868  and segid A and (name O* or name N*))
       )  2.0 2.0 0.0
!
! ADE 18
assign ( resid 18  and segid B and name N6)
       (
        ( resid 856  and segid A and name H*)
     or
        ( resid 861  and segid A and name H*)
     or
        ( resid 863  and segid A and name H*)
     or
        ( resid 865  and segid A and name H*)
     or
        ( resid 866  and segid A and name H*)
     or
        ( resid 867  and segid A and name H*)
     or
        ( resid 868  and segid A and name H*)
       )  2.0 2.0 0.0
!
assign ( resid 18  and segid B and name H6#)
       (
        ( resid 856  and segid A and (name O* or name N*))
     or
        ( resid 861  and segid A and (name O* or name N*))
     or
        ( resid 863  and segid A and (name O* or name N*))
     or
        ( resid 865  and segid A and (name O* or name N*))
     or
        ( resid 866  and segid A and (name O* or name N*))
     or
        ( resid 867  and segid A and (name O* or name N*))
     or
        ( resid 868  and segid A and (name O* or name N*))
       )  2.0 2.0 0.0
!
! THY 9
assign ( resid 9  and segid B and name O4)
       (
        ( resid 856  and segid A and name H*)
     or
        ( resid 861  and segid A and name H*)
     or
        ( resid 863  and segid A and name H*)
     or
        ( resid 865  and segid A and name H*)
     or
        ( resid 866  and segid A and name H*)
     or
        ( resid 867  and segid A and name H*)
     or
        ( resid 868  and segid A and name H*)
       )  2.0 2.0 0.0
!
assign ( resid 9  and segid B and name H3)
       (
        ( resid 856  and segid A and (name O* or name N*))
     or
        ( resid 861  and segid A and (name O* or name N*))
     or
        ( resid 863  and segid A and (name O* or name N*))
     or
        ( resid 865  and segid A and (name O* or name N*))
     or
        ( resid 866  and segid A and (name O* or name N*))
     or
        ( resid 867  and segid A and (name O* or name N*))
     or
        ( resid 868  and segid A and (name O* or name N*))
       )  2.0 2.0 0.0
!
assign ( resid 9  and segid B and name C7)
       (
        ( resid 856  and segid A and name H*)
     or
        ( resid 861  and segid A and name H*)
     or
        ( resid 863  and segid A and name H*)
     or
        ( resid 865  and segid A and name H*)
     or
        ( resid 866  and segid A and name H*)
     or
        ( resid 867  and segid A and name H*)
     or
        ( resid 868  and segid A and name H*)
       )  2.0 2.0 0.0
!
! THY 10
assign ( resid 10  and segid B and name O4)
       (
        ( resid 856  and segid A and name H*)
     or
        ( resid 861  and segid A and name H*)
     or
        ( resid 863  and segid A and name H*)
     or
        ( resid 865  and segid A and name H*)
     or
        ( resid 866  and segid A and name H*)
     or
        ( resid 867  and segid A and name H*)
     or
        ( resid 868  and segid A and name H*)
       )  2.0 2.0 0.0
!
assign ( resid 10  and segid B and name H3)
       (
        ( resid 856  and segid A and (name O* or name N*))
     or
        ( resid 861  and segid A and (name O* or name N*))
     or
        ( resid 863  and segid A and (name O* or name N*))
     or
        ( resid 865  and segid A and (name O* or name N*))
     or
        ( resid 866  and segid A and (name O* or name N*))
     or
        ( resid 867  and segid A and (name O* or name N*))
     or
        ( resid 868  and segid A and (name O* or name N*))
       )  2.0 2.0 0.0
!
assign ( resid 10  and segid B and name C7)
       (
        ( resid 856  and segid A and name H*)
     or
        ( resid 861  and segid A and name H*)
     or
        ( resid 863  and segid A and name H*)
     or
        ( resid 865  and segid A and name H*)
     or
        ( resid 866  and segid A and name H*)
     or
        ( resid 867  and segid A and name H*)
     or
        ( resid 868  and segid A and name H*)
       )  2.0 2.0 0.0
!
!

  Entry H atom name         Submitted Coord H atom name
    1    H    LEU 799           H        LEU 799  -1.106  -2.363 -10.447
    2    HA   LEU 799           HA       LEU 799  -2.145  -0.686 -12.602
    3    HB2  LEU 799           HB2      LEU 799  -1.642  -3.147 -13.187
    4    HB3  LEU 799           HB3      LEU 799  -2.711  -3.635 -11.869
    5    HG   LEU 799           HG       LEU 799  -4.693  -2.399 -13.052
    6   HD11  LEU 799          HD11      LEU 799  -3.588  -0.755 -14.749
    7   HD12  LEU 799          HD12      LEU 799  -4.603  -1.893 -15.632
    8   HD13  LEU 799          HD13      LEU 799  -2.856  -2.117 -15.609
    9   HD21  LEU 799          HD21      LEU 799  -5.197  -4.254 -14.763
   10   HD22  LEU 799          HD22      LEU 799  -4.385  -5.000 -13.388
   11   HD23  LEU 799          HD23      LEU 799  -3.480  -4.673 -14.864
   12    H    LEU 800           H        LEU 800  -3.663  -2.886 -10.230
   13    HA   LEU 800           HA       LEU 800  -5.602  -0.895  -9.601
   14    HB2  LEU 800           HB2      LEU 800  -5.313  -3.744  -8.421
   15    HB3  LEU 800           HB3      LEU 800  -6.707  -2.694  -8.202
   16    HG   LEU 800           HG       LEU 800  -6.516  -2.867 -11.007
   17   HD11  LEU 800          HD11      LEU 800  -6.317  -5.375 -11.616
   18   HD12  LEU 800          HD12      LEU 800  -6.015  -5.794  -9.931
   19   HD13  LEU 800          HD13      LEU 800  -4.804  -4.888 -10.836
   20   HD21  LEU 800          HD21      LEU 800  -8.787  -3.054  -9.748
   21   HD22  LEU 800          HD22      LEU 800  -8.334  -4.640  -9.130
   22   HD23  LEU 800          HD23      LEU 800  -8.631  -4.427 -10.853
   23    H    THR 801           H        THR 801  -2.905  -2.460  -8.128
   24    HA   THR 801           HA       THR 801  -3.317  -1.119  -5.630
   25    HB   THR 801           HB       THR 801  -0.707  -2.368  -6.430
   26    HG1  THR 801           HG1      THR 801  -2.784  -3.987  -5.435
   27   HG21  THR 801          HG21      THR 801  -1.116  -1.327  -4.169
   28   HG22  THR 801          HG22      THR 801  -0.593  -3.008  -4.143
   29   HG23  THR 801          HG23      THR 801  -2.291  -2.608  -3.879
   30    H    CYS 802           H        CYS 802  -0.748  -0.926  -8.060
   31    HA   CYS 802           HA       CYS 802  -0.023   1.769  -7.141
   32    HB2  CYS 802           HB2      CYS 802   2.047   1.100  -8.686
   33    HB3  CYS 802           HB3      CYS 802   1.962   0.599  -6.994
   34    HA   PRO 803           HA       PRO 803  -1.521   3.346 -11.003
   35    HB2  PRO 803           HB2      PRO 803   0.345   5.246 -11.616
   36    HB3  PRO 803           HB3      PRO 803  -0.890   5.443 -10.367
   37    HG2  PRO 803           HG2      PRO 803   1.976   4.683 -10.039
   38    HG3  PRO 803           HG3      PRO 803   0.982   5.790  -9.074
   39    HD2  PRO 803           HD2      PRO 803   1.512   3.281  -8.261
   40    HD3  PRO 803           HD3      PRO 803  -0.027   4.091  -7.901
   41    H    THR 804           H        THR 804   1.559   1.818 -10.838
   42    HA   THR 804           HA       THR 804   2.392   2.119 -13.535
   43    HB   THR 804           HB       THR 804   3.172  -0.273 -11.944
   44    HG1  THR 804           HG1      THR 804   3.548   2.400 -11.159
   45   HG21  THR 804          HG21      THR 804   4.432   1.631 -13.862
   46   HG22  THR 804          HG22      THR 804   4.457  -0.127 -13.857
   47   HG23  THR 804          HG23      THR 804   5.459   0.772 -12.725
   48    HA   PRO 805           HA       PRO 805  -0.777  -0.622 -15.198
   49    HB2  PRO 805           HB2      PRO 805   0.822  -0.396 -17.665
   50    HB3  PRO 805           HB3      PRO 805  -0.871   0.022 -17.373
   51    HG2  PRO 805           HG2      PRO 805   0.974   1.927 -17.706
   52    HG3  PRO 805           HG3      PRO 805  -0.387   2.114 -16.584
   53    HD2  PRO 805           HD2      PRO 805   2.464   1.479 -15.971
   54    HD3  PRO 805           HD3      PRO 805   1.314   2.515 -15.102
   55    H    GLY 806           H        GLY 806   2.536  -1.055 -16.088
   56    HA2  GLY 806           HA2      GLY 806   2.419  -3.800 -16.712
   57    HA3  GLY 806           HA3      GLY 806   3.911  -2.999 -16.246
   58    H    CYS 807           H        CYS 807   2.895  -2.254 -13.620
   59    HA   CYS 807           HA       CYS 807   3.549  -4.731 -12.271
   60    HB2  CYS 807           HB2      CYS 807   4.520  -2.487 -11.649
   61    HB3  CYS 807           HB3      CYS 807   2.920  -2.030 -11.080
   62    H    ASP 808           H        ASP 808   2.142  -5.677 -10.536
   63    HA   ASP 808           HA       ASP 808  -0.630  -5.024 -10.968
   64    HB2  ASP 808           HB2      ASP 808  -1.094  -7.258 -10.807
   65    HB3  ASP 808           HB3      ASP 808   0.574  -7.387 -11.352
   66    H    GLY 809           H        GLY 809   1.890  -4.755  -8.742
   67    HA2  GLY 809           HA2      GLY 809   1.521  -3.429  -6.755
   68    HA3  GLY 809           HA3      GLY 809  -0.068  -4.162  -6.629
   69    H    SER 810           H        SER 810   1.378  -6.822  -7.340
   70    HA   SER 810           HA       SER 810   1.886  -7.507  -4.576
   71    HB2  SER 810           HB2      SER 810   1.971  -9.301  -7.007
   72    HB3  SER 810           HB3      SER 810   1.815  -9.802  -5.322
   73    HG   SER 810           HG       SER 810  -0.102  -9.183  -7.055
   74    H    GLY 811           H        GLY 811   4.151  -8.414  -3.742
   75    HA2  GLY 811           HA2      GLY 811   6.279  -8.955  -4.082
   76    HA3  GLY 811           HA3      GLY 811   6.122  -8.562  -5.802
   77    H    HIS 812           H        HIS 812   8.306  -7.540  -5.010
   78    HA   HIS 812           HA       HIS 812   7.852  -4.757  -4.750
   79    HB2  HIS 812           HB2      HIS 812   8.440  -6.219  -2.311
   80    HB3  HIS 812           HB3      HIS 812   9.750  -5.108  -2.696
   81    HD2  HIS 812           HD2      HIS 812   6.744  -5.022  -0.649
   82    HE1  HIS 812           HE1      HIS 812   7.073  -1.092  -2.191
   83    HE2  HIS 812           HE2      HIS 812   6.205  -2.501  -0.231
   84    H    ILE 813           H        ILE 813   9.998  -3.576  -4.802
   85    HA   ILE 813           HA       ILE 813  11.556  -4.616  -6.895
   86    HB   ILE 813           HB       ILE 813  11.402  -2.225  -6.589
   87   HG12  ILE 813          HG12      ILE 813  14.242  -3.084  -6.006
   88   HG13  ILE 813          HG13      ILE 813  13.489  -3.069  -7.597
   89   HG21  ILE 813          HG21      ILE 813  12.847  -2.548  -3.972
   90   HG22  ILE 813          HG22      ILE 813  11.135  -2.190  -4.166
   91   HG23  ILE 813          HG23      ILE 813  12.343  -1.030  -4.711
   92   HD11  ILE 813          HD11      ILE 813  14.098  -0.694  -5.854
   93   HD12  ILE 813          HD12      ILE 813  13.178  -0.614  -7.354
   94   HD13  ILE 813          HD13      ILE 813  14.862  -1.129  -7.380
   95    H    THR 814           H        THR 814  12.277  -4.274  -3.429
   96    HA   THR 814           HA       THR 814  14.611  -5.908  -3.688
   97    HB   THR 814           HB       THR 814  14.673  -4.115  -2.081
   98    HG1  THR 814           HG1      THR 814  14.599  -6.655  -0.794
   99   HG21  THR 814          HG21      THR 814  13.209  -3.868  -0.242
  100   HG22  THR 814          HG22      THR 814  12.520  -5.464  -0.476
  101   HG23  THR 814          HG23      THR 814  12.178  -4.186  -1.627
  102    H    GLY 815           H        GLY 815  11.296  -6.508  -3.071
  103    HA2  GLY 815           HA2      GLY 815  10.181  -8.525  -2.970
  104    HA3  GLY 815           HA3      GLY 815  11.730  -9.348  -3.061
  105    H    ASN 816           H        ASN 816  11.761  -7.027  -0.650
  106    HA   ASN 816           HA       ASN 816  11.633  -9.050   1.402
  107    HB2  ASN 816           HB2      ASN 816  12.359  -6.129   1.457
  108    HB3  ASN 816           HB3      ASN 816  12.251  -7.111   2.915
  109   HD21  ASN 816          HD21      ASN 816  14.412  -6.887   3.385
  110   HD22  ASN 816          HD22      ASN 816  15.652  -7.671   2.474
  111    H    TYR 817           H        TYR 817   9.363  -7.321  -0.082
  112    HA   TYR 817           HA       TYR 817   7.485  -7.679   2.123
  113    HB2  TYR 817           HB2      TYR 817   7.824  -4.981   0.802
  114    HB3  TYR 817           HB3      TYR 817   6.621  -5.393   2.015
  115    HD1  TYR 817           HD1      TYR 817  10.171  -4.676   1.412
  116    HD2  TYR 817           HD2      TYR 817   7.225  -5.558   4.333
  117    HE1  TYR 817           HE1      TYR 817  11.718  -3.950   3.183
  118    HE2  TYR 817           HE2      TYR 817   8.755  -4.833   6.111
  119    HH   TYR 817           HH       TYR 817  10.987  -4.427   6.557
  120    H    ALA 818           H        ALA 818   5.312  -6.303   1.087
  121    HA   ALA 818           HA       ALA 818   4.924  -7.319  -1.629
  122    HB1  ALA 818           HB1      ALA 818   3.067  -7.999   0.651
  123    HB2  ALA 818           HB2      ALA 818   4.169  -9.118  -0.150
  124    HB3  ALA 818           HB3      ALA 818   2.826  -8.413  -1.047
  125    H    SER 819           H        SER 819   3.645  -5.461   1.078
  126    HA   SER 819           HA       SER 819   1.591  -4.127  -0.310
  127    HB2  SER 819           HB2      SER 819   1.157  -3.630   1.837
  128    HB3  SER 819           HB3      SER 819   2.811  -4.000   2.318
  129    HG   SER 819           HG       SER 819   3.400  -1.878   1.647
  130    H    HIS 820           H        HIS 820   1.683  -2.685  -1.836
  131    HA   HIS 820           HA       HIS 820   3.383  -0.423  -1.811
  132    HB2  HIS 820           HB2      HIS 820   5.058  -0.790  -3.274
  133    HB3  HIS 820           HB3      HIS 820   4.846  -2.443  -2.775
  134    HD1  HIS 820           HD1      HIS 820   4.629  -4.095  -4.614
  135    HD2  HIS 820           HD2      HIS 820   3.817  -0.248  -6.008
  136    HE1  HIS 820           HE1      HIS 820   4.539  -4.261  -7.135
  137    H    ARG 821           H        ARG 821   2.328   1.184  -2.661
  138    HA   ARG 821           HA       ARG 821   0.656   0.700  -4.996
  139    HB2  ARG 821           HB2      ARG 821  -1.091   2.231  -3.613
  140    HB3  ARG 821           HB3      ARG 821  -1.168   0.485  -3.705
  141    HG2  ARG 821           HG2      ARG 821  -1.499   1.253  -1.435
  142    HG3  ARG 821           HG3      ARG 821  -0.017   0.309  -1.559
  143    HD2  ARG 821           HD2      ARG 821   1.228   2.484  -1.751
  144    HD3  ARG 821           HD3      ARG 821  -0.282   3.303  -1.370
  145    HE   ARG 821           HE       ARG 821   0.177   2.882   0.813
  146   HH11  ARG 821          HH11      ARG 821   1.672   0.343  -1.075
  147   HH12  ARG 821          HH12      ARG 821   2.303  -0.488   0.318
  148   HH21  ARG 821          HH21      ARG 821   1.015   1.781   2.625
  149   HH22  ARG 821          HH22      ARG 821   1.934   0.325   2.400
  150    H    SER 822           H        SER 822   2.944   2.447  -3.674
  151    HA   SER 822           HA       SER 822   2.346   4.762  -5.379
  152    HB2  SER 822           HB2      SER 822   3.071   6.371  -3.639
  153    HB3  SER 822           HB3      SER 822   1.621   5.486  -3.187
  154    HG   SER 822           HG       SER 822   3.524   5.739  -1.604
  155    H    LEU 823           H        LEU 823   4.776   5.953  -3.725
  156    HA   LEU 823           HA       LEU 823   6.754   5.032  -5.639
  157    HB2  LEU 823           HB2      LEU 823   8.187   6.692  -4.137
  158    HB3  LEU 823           HB3      LEU 823   7.132   7.265  -5.409
  159    HG   LEU 823           HG       LEU 823   5.916   7.050  -2.717
  160   HD11  LEU 823          HD11      LEU 823   8.085   7.925  -2.112
  161   HD12  LEU 823          HD12      LEU 823   6.892   9.218  -2.041
  162   HD13  LEU 823          HD13      LEU 823   8.001   9.117  -3.406
  163   HD21  LEU 823          HD21      LEU 823   4.882   9.143  -3.438
  164   HD22  LEU 823          HD22      LEU 823   4.678   7.885  -4.651
  165   HD23  LEU 823          HD23      LEU 823   5.882   9.147  -4.885
  166    H    SER 824           H        SER 824   6.167   2.892  -4.321
  167    HA   SER 824           HA       SER 824   8.078   2.665  -2.133
  168    HB2  SER 824           HB2      SER 824   5.916   0.691  -2.806
  169    HB3  SER 824           HB3      SER 824   6.841   0.802  -1.311
  170    HG   SER 824           HG       SER 824   5.673   2.546  -0.701
  171    H    GLY 825           H        GLY 825   6.896   0.287  -4.615
  172    HA2  GLY 825           HA2      GLY 825   9.502  -0.158  -5.630
  173    HA3  GLY 825           HA3      GLY 825   9.218  -1.311  -4.346
  174    H    CYS 826           H        CYS 826   7.973  -0.152  -7.381
  175    HA   CYS 826           HA       CYS 826   6.372  -2.419  -7.915
  176    HB2  CYS 826           HB2      CYS 826   7.340  -0.077  -9.536
  177    HB3  CYS 826           HB3      CYS 826   6.497  -1.404 -10.325
  178    HA   PRO 827           HA       PRO 827   9.903  -4.939  -9.152
  179    HB2  PRO 827           HB2      PRO 827   8.586  -7.266  -9.426
  180    HB3  PRO 827           HB3      PRO 827   8.963  -6.574  -7.840
  181    HG2  PRO 827           HG2      PRO 827   6.388  -6.504  -9.349
  182    HG3  PRO 827           HG3      PRO 827   6.671  -6.792  -7.621
  183    HD2  PRO 827           HD2      PRO 827   5.887  -4.383  -8.622
  184    HD3  PRO 827           HD3      PRO 827   6.839  -4.562  -7.137
  185    H    LEU 828           H        LEU 828   9.319  -3.452 -11.152
  186    HA   LEU 828           HA       LEU 828   8.353  -4.868 -13.552
  187    HB2  LEU 828           HB2      LEU 828  10.169  -2.335 -13.484
  188    HB3  LEU 828           HB3      LEU 828   9.206  -2.863 -14.866
  189    HG   LEU 828           HG       LEU 828   8.059  -2.168 -12.194
  190   HD11  LEU 828          HD11      LEU 828   7.965   0.397 -12.849
  191   HD12  LEU 828          HD12      LEU 828   7.624   0.040 -14.538
  192   HD13  LEU 828          HD13      LEU 828   9.290   0.018 -13.969
  193   HD21  LEU 828          HD21      LEU 828   6.612  -2.932 -15.001
  194   HD22  LEU 828          HD22      LEU 828   5.736  -1.919 -13.860
  195   HD23  LEU 828          HD23      LEU 828   6.171  -3.563 -13.403
  196    H    ALA 829           H        ALA 829  11.587  -3.632 -12.957
  197    HA   ALA 829           HA       ALA 829  12.456  -5.651 -14.751
  198    HB1  ALA 829           HB1      ALA 829  14.687  -4.308 -14.795
  199    HB2  ALA 829           HB2      ALA 829  14.019  -3.171 -13.628
  200    HB3  ALA 829           HB3      ALA 829  13.328  -3.270 -15.246
  201    H    ASP 830           H        ASP 830  12.954  -4.380 -11.492
  202    HA   ASP 830           HA       ASP 830  13.557  -5.333  -9.532
  203    HB2  ASP 830           HB2      ASP 830  12.014  -7.142 -10.599
  204    HB3  ASP 830           HB3      ASP 830  13.534  -8.032 -10.669
  205    H    LYS 831           H        LYS 831  15.151  -7.393  -8.936
  206    HA   LYS 831           HA       LYS 831  17.467  -7.289 -10.685
  207    HB2  LYS 831           HB2      LYS 831  18.977  -6.864  -8.470
  208    HB3  LYS 831           HB3      LYS 831  18.157  -5.435  -9.120
  209    HG2  LYS 831           HG2      LYS 831  17.615  -5.390  -6.582
  210    HG3  LYS 831           HG3      LYS 831  16.121  -5.928  -7.361
  211    HD2  LYS 831           HD2      LYS 831  16.562  -7.467  -5.406
  212    HD3  LYS 831           HD3      LYS 831  16.825  -8.386  -6.890
  213    HE2  LYS 831           HE2      LYS 831  19.592  -7.228  -5.991
  214    HE3  LYS 831           HE3      LYS 831  18.917  -8.143  -4.642
  215    HZ1  LYS 831           HZ1      LYS 831  18.696  -9.987  -6.072
  216    HZ2  LYS 831           HZ2      LYS 831  20.298  -9.442  -6.048
  217    HZ3  LYS 831           HZ3      LYS 831  19.303  -9.096  -7.372
  218    H    SER 832           H        SER 832  15.339  -9.107  -9.413
  219    HA   SER 832           HA       SER 832  15.129 -11.382  -9.150
  220    HB2  SER 832           HB2      SER 832  17.047 -11.648 -10.830
  221    HB3  SER 832           HB3      SER 832  18.197 -11.564  -9.494
  222    HG   SER 832           HG       SER 832  16.240 -13.560  -9.995
  223    H    LEU 833           H        LEU 833  14.393 -11.394  -7.141
  224    HA   LEU 833           HA       LEU 833  16.024 -12.578  -5.099
  225    HB2  LEU 833           HB2      LEU 833  16.785 -10.139  -5.039
  226    HB3  LEU 833           HB3      LEU 833  15.138  -9.675  -4.604
  227    HG   LEU 833           HG       LEU 833  15.292 -11.112  -2.556
  228   HD11  LEU 833          HD11      LEU 833  17.987 -11.779  -1.809
  229   HD12  LEU 833          HD12      LEU 833  18.272 -11.849  -3.546
  230   HD13  LEU 833          HD13      LEU 833  17.118 -12.957  -2.810
  231   HD21  LEU 833          HD21      LEU 833  16.755  -9.478  -1.175
  232   HD22  LEU 833          HD22      LEU 833  15.919  -8.523  -2.397
  233   HD23  LEU 833          HD23      LEU 833  17.611  -8.954  -2.633
  234    H    ARG 834           H        ARG 834  14.258 -14.040  -5.223
  235    HA   ARG 834           HA       ARG 834  12.067 -13.101  -3.531
  236    HB2  ARG 834           HB2      ARG 834  11.762 -13.416  -6.310
  237    HB3  ARG 834           HB3      ARG 834  11.133 -14.923  -5.662
  238    HG2  ARG 834           HG2      ARG 834   8.892 -13.709  -5.425
  239    HG3  ARG 834           HG3      ARG 834   9.604 -12.888  -4.022
  240    HD2  ARG 834           HD2      ARG 834   9.643 -11.855  -6.962
  241    HD3  ARG 834           HD3      ARG 834   8.802 -11.088  -5.610
  242    HE   ARG 834           HE       ARG 834  11.500 -11.141  -4.832
  243   HH11  ARG 834          HH11      ARG 834   9.687  -9.969  -7.518
  244   HH12  ARG 834          HH12      ARG 834  10.759  -8.622  -7.798
  245   HH21  ARG 834          HH21      ARG 834  12.922  -9.437  -5.223
  246   HH22  ARG 834          HH22      ARG 834  12.532  -8.345  -6.527
  247    H    ASN 835           H        ASN 835  12.415 -16.271  -5.349
  248    HA   ASN 835           HA       ASN 835  12.052 -18.309  -4.656
  249    HB2  ASN 835           HB2      ASN 835  14.382 -17.367  -2.895
  250    HB3  ASN 835           HB3      ASN 835  14.101 -19.026  -3.415
  251   HD21  ASN 835          HD21      ASN 835  14.618 -19.551  -5.484
  252   HD22  ASN 835          HD22      ASN 835  15.501 -18.492  -6.525
  253    H    LEU 836           H        LEU 836  13.170 -18.466  -1.658
  254    HA   LEU 836           HA       LEU 836  10.565 -18.324  -0.337
  255    HB2  LEU 836           HB2      LEU 836  13.024 -20.086   0.276
  256    HB3  LEU 836           HB3      LEU 836  11.533 -20.101   1.221
  257    HG   LEU 836           HG       LEU 836  11.707 -20.853  -1.764
  258   HD11  LEU 836          HD11      LEU 836  11.260 -22.819   0.656
  259   HD12  LEU 836          HD12      LEU 836  12.783 -22.687  -0.219
  260   HD13  LEU 836          HD13      LEU 836  11.354 -23.302  -1.043
  261   HD21  LEU 836          HD21      LEU 836   9.055 -20.829   0.085
  262   HD22  LEU 836          HD22      LEU 836   9.119 -21.895  -1.314
  263   HD23  LEU 836          HD23      LEU 836   9.185 -20.151  -1.549
  264    H    MET 837           H        MET 837  12.095 -16.101  -0.505
  265    HA   MET 837           HA       MET 837  13.722 -15.743   1.780
  266    HB2  MET 837           HB2      MET 837  13.603 -14.434  -0.471
  267    HB3  MET 837           HB3      MET 837  12.374 -13.490   0.372
  268    HG2  MET 837           HG2      MET 837  14.143 -13.084   2.298
  269    HG3  MET 837           HG3      MET 837  15.356 -13.783   1.232
  270    HE1  MET 837           HE1      MET 837  16.998 -11.601   1.033
  271    HE2  MET 837           HE2      MET 837  16.014 -11.278   2.460
  272    HE3  MET 837           HE3      MET 837  16.257 -10.016   1.253
  273    H    ALA 838           H        ALA 838  12.630 -16.156   3.644
  274    HA   ALA 838           HA       ALA 838   9.952 -15.105   4.200
  275    HB1  ALA 838           HB1      ALA 838  10.112 -16.471   6.367
  276    HB2  ALA 838           HB2      ALA 838  11.843 -16.702   6.130
  277    HB3  ALA 838           HB3      ALA 838  10.700 -17.476   5.034
  278    H    ALA 839           H        ALA 839  10.111 -14.498   6.910
  279    HA   ALA 839           HA       ALA 839  10.335 -12.775   8.345
  280    HB1  ALA 839           HB1      ALA 839  12.762 -11.931   8.740
  281    HB2  ALA 839           HB2      ALA 839  13.273 -12.686   7.233
  282    HB3  ALA 839           HB3      ALA 839  12.749 -13.693   8.581
  283    H    HIS 840           H        HIS 840   8.928 -11.933   6.348
  284    HA   HIS 840           HA       HIS 840  10.034  -9.283   5.649
  285    HB2  HIS 840           HB2      HIS 840   8.451 -11.202   3.910
  286    HB3  HIS 840           HB3      HIS 840   8.507  -9.478   3.551
  287    HD1  HIS 840           HD1      HIS 840  11.722 -10.129   4.842
  288    HD2  HIS 840           HD2      HIS 840   9.831 -11.021   1.253
  289    HE1  HIS 840           HE1      HIS 840  13.576 -10.538   3.186
  290    HE2  HIS 840           HE2      HIS 840  12.405 -11.152   1.043
  291    H    SER 841           H        SER 841   8.987  -8.041   6.962
  292    HA   SER 841           HA       SER 841   6.206  -8.427   7.810
  293    HB2  SER 841           HB2      SER 841   6.720  -6.001   9.046
  294    HB3  SER 841           HB3      SER 841   7.577  -7.416   9.663
  295    HG   SER 841           HG       SER 841   9.058  -6.550   7.712
  296    H    ALA 842           H        ALA 842   4.874  -8.177   6.221
  297    HA   ALA 842           HA       ALA 842   4.453  -5.390   5.134
  298    HB1  ALA 842           HB1      ALA 842   4.051  -7.714   3.206
  299    HB2  ALA 842           HB2      ALA 842   5.703  -7.220   3.566
  300    HB3  ALA 842           HB3      ALA 842   4.578  -6.065   2.855
  301    H    ASP 843           H        ASP 843   2.374  -4.946   5.326
  302    HA   ASP 843           HA       ASP 843   0.428  -7.114   5.699
  303    HB2  ASP 843           HB2      ASP 843   0.580  -4.964   7.149
  304    HB3  ASP 843           HB3      ASP 843  -0.259  -4.202   5.796
  305    H    LEU 844           H        LEU 844  -0.305  -7.874   3.957
  306    HA   LEU 844           HA       LEU 844  -0.756  -6.304   1.534
  307    HB2  LEU 844           HB2      LEU 844   0.275  -8.566   1.080
  308    HB3  LEU 844           HB3      LEU 844  -0.800  -9.378   2.224
  309    HG   LEU 844           HG       LEU 844  -2.726  -8.691   0.626
  310   HD11  LEU 844          HD11      LEU 844  -1.250  -7.065  -0.957
  311   HD12  LEU 844          HD12      LEU 844  -2.195  -8.261  -1.840
  312   HD13  LEU 844          HD13      LEU 844  -0.473  -8.527  -1.583
  313   HD21  LEU 844          HD21      LEU 844  -0.636 -10.885  -0.143
  314   HD22  LEU 844          HD22      LEU 844  -2.196 -10.765  -0.951
  315   HD23  LEU 844          HD23      LEU 844  -2.130 -11.133   0.771
  316    H    LYS 845           H        LYS 845  -2.453  -6.974   4.073
  317    HA   LYS 845           HA       LYS 845  -5.035  -6.921   2.738
  318    HB2  LYS 845           HB2      LYS 845  -5.959  -8.209   4.780
  319    HB3  LYS 845           HB3      LYS 845  -4.841  -9.175   3.805
  320    HG2  LYS 845           HG2      LYS 845  -3.357  -9.433   5.632
  321    HG3  LYS 845           HG3      LYS 845  -3.276  -7.684   5.856
  322    HD2  LYS 845           HD2      LYS 845  -5.437  -7.798   7.262
  323    HD3  LYS 845           HD3      LYS 845  -5.418  -9.557   7.101
  324    HE2  LYS 845           HE2      LYS 845  -4.428  -8.962   9.322
  325    HE3  LYS 845           HE3      LYS 845  -3.122  -9.568   8.285
  326    HZ1  LYS 845           HZ1      LYS 845  -2.545  -7.447   7.750
  327    HZ2  LYS 845           HZ2      LYS 845  -2.678  -7.527   9.436
  328    HZ3  LYS 845           HZ3      LYS 845  -3.900  -6.799   8.518
  329    H    CYS 846           H        CYS 846  -6.532  -6.572   5.214
  330    HA   CYS 846           HA       CYS 846  -6.236  -3.717   5.478
  331    HB2  CYS 846           HB2      CYS 846  -8.272  -4.237   7.089
  332    HB3  CYS 846           HB3      CYS 846  -8.469  -4.283   5.342
  333    HA   PRO 847           HA       PRO 847  -4.081  -3.621   9.350
  334    HB2  PRO 847           HB2      PRO 847  -5.412  -1.647  10.691
  335    HB3  PRO 847           HB3      PRO 847  -4.235  -1.331   9.409
  336    HG2  PRO 847           HG2      PRO 847  -7.212  -1.374   9.285
  337    HG3  PRO 847           HG3      PRO 847  -6.075  -0.254   8.506
  338    HD2  PRO 847           HD2      PRO 847  -7.255  -2.255   7.153
  339    HD3  PRO 847           HD3      PRO 847  -5.600  -1.723   6.792
  340    H    THR 848           H        THR 848  -7.304  -4.548   9.202
  341    HA   THR 848           HA       THR 848  -7.969  -4.672  12.004
  342    HB   THR 848           HB       THR 848  -9.419  -6.273   9.957
  343    HG1  THR 848           HG1      THR 848 -10.586  -4.057   9.704
  344   HG21  THR 848          HG21      THR 848  -9.886  -5.718  12.569
  345   HG22  THR 848          HG22      THR 848 -11.137  -6.141  11.413
  346   HG23  THR 848          HG23      THR 848 -10.827  -4.453  11.791
  347    HA   PRO 849           HA       PRO 849  -5.435  -8.377  12.409
  348    HB2  PRO 849           HB2      PRO 849  -6.755  -8.541  15.040
  349    HB3  PRO 849           HB3      PRO 849  -5.033  -8.440  14.653
  350    HG2  PRO 849           HG2      PRO 849  -6.350  -6.377  15.721
  351    HG3  PRO 849           HG3      PRO 849  -5.045  -6.140  14.543
  352    HD2  PRO 849           HD2      PRO 849  -8.000  -5.979  14.165
  353    HD3  PRO 849           HD3      PRO 849  -6.718  -4.976  13.454
  354    H    GLY 850           H        GLY 850  -8.842  -8.309  13.459
  355    HA2  GLY 850           HA2      GLY 850  -9.172 -11.129  13.452
  356    HA3  GLY 850           HA3      GLY 850 -10.465  -9.938  13.441
  357    H    CYS 851           H        CYS 851  -9.328  -8.741  10.957
  358    HA   CYS 851           HA       CYS 851 -10.863 -10.399   9.113
  359    HB2  CYS 851           HB2      CYS 851 -11.271  -7.940   9.224
  360    HB3  CYS 851           HB3      CYS 851  -9.603  -7.671   8.756
  361    H    ASP 852           H        ASP 852  -9.892 -10.952   7.044
  362    HA   ASP 852           HA       ASP 852  -6.964 -11.236   7.234
  363    HB2  ASP 852           HB2      ASP 852  -7.059 -13.366   6.424
  364    HB3  ASP 852           HB3      ASP 852  -8.644 -13.314   7.186
  365    H    GLY 853           H        GLY 853  -9.224  -9.499   5.688
  366    HA2  GLY 853           HA2      GLY 853  -8.968  -8.084   3.935
  367    HA3  GLY 853           HA3      GLY 853  -7.606  -9.055   3.397
  368    H    SER 854           H        SER 854  -9.456 -11.491   3.481
  369    HA   SER 854           HA       SER 854 -10.469 -11.191   0.839
  370    HB2  SER 854           HB2      SER 854 -10.816 -13.560   2.692
  371    HB3  SER 854           HB3      SER 854 -10.894 -13.551   0.932
  372    HG   SER 854           HG       SER 854  -8.763 -13.947   2.439
  373    H    GLY 855           H        GLY 855 -12.321 -10.889   0.224
  374    HA2  GLY 855           HA2      GLY 855 -14.670 -10.975   0.063
  375    HA3  GLY 855           HA3      GLY 855 -14.725 -11.566   1.725
  376    H    HIS 856           H        HIS 856 -16.220  -9.378   0.448
  377    HA   HIS 856           HA       HIS 856 -15.349  -7.237   2.230
  378    HB2  HIS 856           HB2      HIS 856 -16.254  -7.385  -0.475
  379    HB3  HIS 856           HB3      HIS 856 -17.336  -6.340   0.441
  380    HD2  HIS 856           HD2      HIS 856 -14.353  -5.919  -1.619
  381    HE1  HIS 856           HE1      HIS 856 -13.956  -3.075   1.466
  382    HE2  HIS 856           HE2      HIS 856 -13.254  -3.688  -0.880
  383    H    ILE 857           H        ILE 857 -17.204  -5.799   2.979
  384    HA   ILE 857           HA       ILE 857 -18.873  -7.257   4.686
  385    HB   ILE 857           HB       ILE 857 -18.274  -4.996   5.245
  386   HG12  ILE 857          HG12      ILE 857 -21.248  -5.177   4.711
  387   HG13  ILE 857          HG13      ILE 857 -20.416  -5.841   6.112
  388   HG21  ILE 857          HG21      ILE 857 -19.885  -4.092   2.864
  389   HG22  ILE 857          HG22      ILE 857 -18.127  -4.093   2.973
  390   HG23  ILE 857          HG23      ILE 857 -19.074  -3.053   4.033
  391   HD11  ILE 857          HD11      ILE 857 -20.669  -2.931   5.396
  392   HD12  ILE 857          HD12      ILE 857 -19.756  -3.563   6.764
  393   HD13  ILE 857          HD13      ILE 857 -21.503  -3.777   6.697
  394    H    THR 858           H        THR 858 -19.520  -5.752   1.538
  395    HA   THR 858           HA       THR 858 -22.237  -6.796   1.533
  396    HB   THR 858           HB       THR 858 -22.012  -4.567   0.670
  397    HG1  THR 858           HG1      THR 858 -22.359  -5.447  -1.799
  398   HG21  THR 858          HG21      THR 858 -20.002  -4.030  -0.168
  399   HG22  THR 858          HG22      THR 858 -20.641  -4.624  -1.691
  400   HG23  THR 858          HG23      THR 858 -19.665  -5.674  -0.679
  401    H    GLY 859           H        GLY 859 -19.261  -8.068   0.785
  402    HA2  GLY 859           HA2      GLY 859 -18.378  -9.650  -0.457
  403    HA3  GLY 859           HA3      GLY 859 -20.045 -10.198  -0.516
  404    H    ASN 860           H        ASN 860 -19.470  -7.154  -1.969
  405    HA   ASN 860           HA       ASN 860 -20.021  -8.336  -4.592
  406    HB2  ASN 860           HB2      ASN 860 -20.121  -5.495  -3.570
  407    HB3  ASN 860           HB3      ASN 860 -20.283  -5.890  -5.277
  408   HD21  ASN 860          HD21      ASN 860 -22.373  -5.100  -5.376
  409   HD22  ASN 860          HD22      ASN 860 -23.710  -5.926  -4.659
  410    H    TYR 861           H        TYR 861 -17.444  -7.334  -2.807
  411    HA   TYR 861           HA       TYR 861 -15.699  -7.307  -5.179
  412    HB2  TYR 861           HB2      TYR 861 -15.505  -5.251  -2.972
  413    HB3  TYR 861           HB3      TYR 861 -14.422  -5.390  -4.352
  414    HD1  TYR 861           HD1      TYR 861 -17.834  -4.501  -3.290
  415    HD2  TYR 861           HD2      TYR 861 -15.030  -4.493  -6.486
  416    HE1  TYR 861           HE1      TYR 861 -19.279  -2.954  -4.541
  417    HE2  TYR 861           HE2      TYR 861 -16.467  -2.943  -7.747
  418    HH   TYR 861           HH       TYR 861 -18.679  -2.154  -7.859
  419    H    ALA 862           H        ALA 862 -13.275  -6.763  -3.961
  420    HA   ALA 862           HA       ALA 862 -12.982  -8.755  -1.843
  421    HB1  ALA 862           HB1      ALA 862 -11.352  -8.795  -4.374
  422    HB2  ALA 862           HB2      ALA 862 -12.597  -9.963  -3.929
  423    HB3  ALA 862           HB3      ALA 862 -11.120  -9.839  -2.973
  424    H    SER 863           H        SER 863 -11.590  -6.060  -3.689
  425    HA   SER 863           HA       SER 863  -9.224  -5.854  -2.121
  426    HB2  SER 863           HB2      SER 863  -8.823  -4.808  -4.106
  427    HB3  SER 863           HB3      SER 863 -10.519  -4.380  -4.329
  428    HG   SER 863           HG       SER 863 -10.192  -2.705  -2.774
  429    H    HIS 864           H        HIS 864  -8.985  -4.977  -0.179
  430    HA   HIS 864           HA       HIS 864 -10.375  -2.728   0.791
  431    HB2  HIS 864           HB2      HIS 864 -11.955  -3.437   2.245
  432    HB3  HIS 864           HB3      HIS 864 -12.001  -4.863   1.245
  433    HD1  HIS 864           HD1      HIS 864 -11.991  -6.961   2.546
  434    HD2  HIS 864           HD2      HIS 864 -10.173  -3.943   4.793
  435    HE1  HIS 864           HE1      HIS 864 -11.531  -7.970   4.819
  436    H    ARG 865           H        ARG 865  -8.972  -1.691   1.983
  437    HA   ARG 865           HA       ARG 865  -7.288  -3.186   3.806
  438    HB2  ARG 865           HB2      ARG 865  -5.329  -1.614   2.864
  439    HB3  ARG 865           HB3      ARG 865  -5.613  -3.249   2.299
  440    HG2  ARG 865           HG2      ARG 865  -5.198  -1.707   0.461
  441    HG3  ARG 865           HG3      ARG 865  -6.812  -2.409   0.368
  442    HD2  ARG 865           HD2      ARG 865  -7.665  -0.313   1.479
  443    HD3  ARG 865           HD3      ARG 865  -6.054   0.368   1.264
  444    HE   ARG 865           HE       ARG 865  -6.701   0.883  -0.850
  445   HH11  ARG 865          HH11      ARG 865  -8.498  -1.959   0.119
  446   HH12  ARG 865          HH12      ARG 865  -9.277  -2.142  -1.426
  447   HH21  ARG 865          HH21      ARG 865  -7.723   0.615  -2.874
  448   HH22  ARG 865          HH22      ARG 865  -8.844  -0.689  -3.105
  449    H    SER 866           H        SER 866  -9.375  -0.824   3.546
  450    HA   SER 866           HA       SER 866  -8.211   0.629   5.780
  451    HB2  SER 866           HB2      SER 866  -8.705   2.849   4.779
  452    HB3  SER 866           HB3      SER 866  -7.451   1.961   3.920
  453    HG   SER 866           HG       SER 866  -9.234   3.033   2.643
  454    H    LEU 867           H        LEU 867 -10.564   2.636   4.723
  455    HA   LEU 867           HA       LEU 867 -12.530   1.406   6.480
  456    HB2  LEU 867           HB2      LEU 867 -13.714   3.692   5.791
  457    HB3  LEU 867           HB3      LEU 867 -12.530   3.605   7.077
  458    HG   LEU 867           HG       LEU 867 -11.475   4.210   4.360
  459   HD11  LEU 867          HD11      LEU 867 -13.474   5.574   4.361
  460   HD12  LEU 867          HD12      LEU 867 -12.054   6.585   4.593
  461   HD13  LEU 867          HD13      LEU 867 -13.086   6.190   5.963
  462   HD21  LEU 867          HD21      LEU 867 -10.084   5.768   5.680
  463   HD22  LEU 867          HD22      LEU 867  -9.971   4.105   6.255
  464   HD23  LEU 867          HD23      LEU 867 -10.953   5.277   7.134
  465    H    SER 868           H        SER 868 -12.381  -0.184   4.429
  466    HA   SER 868           HA       SER 868 -14.418   0.678   2.513
  467    HB2  SER 868           HB2      SER 868 -12.570  -1.665   2.169
  468    HB3  SER 868           HB3      SER 868 -13.515  -0.845   0.932
  469    HG   SER 868           HG       SER 868 -12.109   0.930   1.057
  470    H    GLY 869           H        GLY 869 -13.505  -2.677   3.662
  471    HA2  GLY 869           HA2      GLY 869 -16.038  -3.027   4.907
  472    HA3  GLY 869           HA3      GLY 869 -16.066  -3.678   3.282
  473    H    CYS 870           H        CYS 870 -14.615  -3.920   6.417
  474    HA   CYS 870           HA       CYS 870 -13.367  -6.474   5.943
  475    HB2  CYS 870           HB2      CYS 870 -13.425  -4.513   8.201
  476    HB3  CYS 870           HB3      CYS 870 -13.073  -6.196   8.573
  477    HA   PRO 871           HA       PRO 871 -17.283  -8.383   7.129
  478    HB2  PRO 871           HB2      PRO 871 -16.808 -10.813   6.144
  479    HB3  PRO 871           HB3      PRO 871 -17.063  -9.430   5.068
  480    HG2  PRO 871           HG2      PRO 871 -14.501 -10.727   5.885
  481    HG3  PRO 871           HG3      PRO 871 -15.008 -10.156   4.284
  482    HD2  PRO 871           HD2      PRO 871 -13.378  -8.740   5.986
  483    HD3  PRO 871           HD3      PRO 871 -14.373  -8.014   4.709
  484    H    ARG 872           H        ARG 872 -15.109  -8.108   9.083
  485    HA   ARG 872           HA       ARG 872 -16.021  -9.869  11.103
  486    HB2  ARG 872           HB2      ARG 872 -14.355 -11.077   9.295
  487    HB3  ARG 872           HB3      ARG 872 -13.196 -10.492  10.488
  488    HG2  ARG 872           HG2      ARG 872 -13.766 -12.863  11.376
  489    HG3  ARG 872           HG3      ARG 872 -14.706 -11.805  12.421
  490    HD2  ARG 872           HD2      ARG 872 -16.847 -12.348  11.058
  491    HD3  ARG 872           HD3      ARG 872 -15.906 -13.356   9.960
  492    HE   ARG 872           HE       ARG 872 -15.524 -14.174  12.486
  493   HH11  ARG 872          HH11      ARG 872 -17.919 -13.751  10.106
  494   HH12  ARG 872          HH12      ARG 872 -18.831 -15.146  10.619
  495   HH21  ARG 872          HH21      ARG 872 -16.638 -15.927  13.202
  496   HH22  ARG 872          HH22      ARG 872 -18.101 -16.360  12.358
  497    H    ALA 873           H        ALA 873 -13.750  -9.941  12.694
  498    HA   ALA 873           HA       ALA 873 -13.804  -7.256  13.573
  499    HB1  ALA 873           HB1      ALA 873 -14.137  -9.040  15.407
  500    HB2  ALA 873           HB2      ALA 873 -12.590  -8.239  15.669
  501    HB3  ALA 873           HB3      ALA 873 -12.632  -9.837  14.930
  502    H5'   DA   1           H5'       DA   1  24.864  12.844   3.066
  503   H5''   DA   1          H5''       DA   1  24.811  14.308   2.061
  504    H4'   DA   1           H4'       DA   1  24.536  12.731   0.446
  505    H3'   DA   1           H3'       DA   1  22.276  14.085   0.713
  506    H2'   DA   1           H2'       DA   1  21.178  12.766   2.375
  507   H2''   DA   1          H2''       DA   1  20.515  12.028   0.925
  508    H1'   DA   1           H1'       DA   1  21.996  10.177   1.016
  509    H8    DA   1           H8        DA   1  21.778  12.029   4.490
  510    H61   DA   1           H61       DA   1  20.821   8.074   7.112
  511    H62   DA   1           H62       DA   1  20.753   6.367   6.737
  512    H2    DA   1           H2        DA   1  21.665   5.992   2.363
  513   HO5'   DA   1          HO5'       DA   1  22.468  13.189   3.204
  514    H5'   DC   2           H5'       DC   2  22.209  10.013  -0.689
  515   H5''   DC   2          H5''       DC   2  22.389  10.683  -2.325
  516    H4'   DC   2           H4'       DC   2  21.902   8.523  -2.849
  517    H3'   DC   2           H3'       DC   2  19.872  10.060  -3.568
  518    H2'   DC   2           H2'       DC   2  18.564  10.009  -1.573
  519   H2''   DC   2          H2''       DC   2  17.813   8.685  -2.447
  520    H1'   DC   2           H1'       DC   2  18.992   7.021  -1.226
  521    H41   DC   2           H41       DC   2  17.938   9.898   4.644
  522    H42   DC   2           H42       DC   2  17.795   8.169   4.869
  523    H5    DC   2           H5        DC   2  18.553  10.911   2.536
  524    H6    DC   2           H6        DC   2  19.136  10.438   0.189
  525    H5'   DC   3           H5'       DC   3  19.116   5.869  -2.462
  526   H5''   DC   3          H5''       DC   3  19.314   5.445  -4.176
  527    H4'   DC   3           H4'       DC   3  18.563   3.449  -3.376
  528    H3'   DC   3           H3'       DC   3  16.696   4.512  -4.926
  529    H2'   DC   3           H2'       DC   3  15.466   5.770  -3.310
  530   H2''   DC   3          H2''       DC   3  14.538   4.279  -3.289
  531    H1'   DC   3           H1'       DC   3  15.562   3.503  -1.295
  532    H41   DC   3           H41       DC   3  15.050   9.337   1.799
  533    H42   DC   3           H42       DC   3  14.723   8.083   2.975
  534    H5    DC   3           H5        DC   3  15.699   8.870  -0.484
  535    H6    DC   3           H6        DC   3  16.145   7.069  -2.104
  536    H5'   DG   4           H5'       DG   4  15.510   1.843  -1.628
  537   H5''   DG   4          H5''       DG   4  15.606   0.481  -2.765
  538    H4'   DG   4           H4'       DG   4  14.658  -0.578  -0.985
  539    H3'   DG   4           H3'       DG   4  12.873  -0.418  -2.934
  540    H2'   DG   4           H2'       DG   4  11.843   1.671  -2.407
  541   H2''   DG   4          H2''       DG   4  10.760   0.579  -1.558
  542    H1'   DG   4           H1'       DG   4  11.753   1.014   0.557
  543    H8    DG   4           H8        DG   4  12.673   3.711  -2.107
  544    H1    DG   4           H1        DG   4  10.993   5.896   3.688
  545    H21   DG   4           H21       DG   4  10.900   2.557   4.595
  546    H22   DG   4           H22       DG   4  10.708   4.225   5.082
  547    H5'   DA   5           H5'       DA   5  11.442  -0.752   1.287
  548   H5''   DA   5          H5''       DA   5  11.219  -2.511   1.168
  549    H4'   DA   5           H4'       DA   5  10.224  -2.138   3.184
  550    H3'   DA   5           H3'       DA   5   8.365  -2.824   1.426
  551    H2'   DA   5           H2'       DA   5   7.761  -0.674   0.577
  552   H2''   DA   5          H2''       DA   5   6.561  -0.843   1.850
  553    H1'   DA   5           H1'       DA   5   7.759   0.544   3.358
  554    H8    DA   5           H8        DA   5   8.958   1.076  -0.362
  555    H61   DA   5           H61       DA   5   8.508   5.899  -0.355
  556    H62   DA   5           H62       DA   5   8.112   7.069   0.884
  557    H2    DA   5           H2        DA   5   7.446   4.747   4.660
  558    H5'   DA   6           H5'       DA   6   7.146  -0.541   5.005
  559   H5''   DA   6          H5''       DA   6   6.702  -1.874   6.096
  560    H4'   DA   6           H4'       DA   6   5.877  -0.114   7.301
  561    H3'   DA   6           H3'       DA   6   3.937  -1.663   6.344
  562    H2'   DA   6           H2'       DA   6   3.603  -0.562   4.216
  563   H2''   DA   6          H2''       DA   6   2.375   0.224   5.196
  564    H1'   DA   6           H1'       DA   6   3.707   2.149   5.594
  565    H8    DA   6           H8        DA   6   4.761   0.099   2.462
  566    H61   DA   6           H61       DA   6   5.079   3.909  -0.587
  567    H62   DA   6           H62       DA   6   4.906   5.627  -0.389
  568    H2    DA   6           H2        DA   6   4.052   6.306   3.999
  569    H5'   DA   7           H5'       DA   7   3.124   2.836   7.758
  570   H5''   DA   7          H5''       DA   7   2.823   1.884   9.239
  571    H4'   DA   7           H4'       DA   7   1.928   3.897   9.890
  572    H3'   DA   7           H3'       DA   7   0.114   1.972   9.513
  573    H2'   DA   7           H2'       DA   7  -0.329   2.365   7.187
  574   H2''   DA   7          H2''       DA   7  -1.592   3.368   7.896
  575    H1'   DA   7           H1'       DA   7  -0.426   5.400   7.570
  576    H8    DA   7           H8        DA   7   0.373   2.256   5.712
  577    H61   DA   7           H61       DA   7   0.671   3.872   1.176
  578    H62   DA   7           H62       DA   7   0.711   5.460   0.449
  579    H2    DA   7           H2        DA   7   0.472   8.403   3.836
  580    H5'   DG   8           H5'       DG   8  -0.814   5.855   9.504
  581   H5''   DG   8          H5''       DG   8  -1.557   6.452  11.009
  582    H4'   DG   8           H4'       DG   8  -1.975   8.274   9.655
  583    H3'   DG   8           H3'       DG   8  -4.076   6.788  10.383
  584    H2'   DG   8           H2'       DG   8  -4.073   5.225   8.540
  585   H2''   DG   8          H2''       DG   8  -5.255   6.399   7.986
  586    H1'   DG   8           H1'       DG   8  -3.628   7.629   6.707
  587    H8    DG   8           H8        DG   8  -2.794   3.881   7.153
  588    H1    DG   8           H1        DG   8  -2.665   6.206   1.158
  589    H21   DG   8           H21       DG   8  -3.028   9.296   2.636
  590    H22   DG   8           H22       DG   8  -2.861   8.370   1.161
  591    H5'   DT   9           H5'       DT   9  -3.992   8.818   6.639
  592   H5''   DT   9          H5''       DT   9  -4.296  10.291   7.596
  593    H4'   DT   9           H4'       DT   9  -4.377  11.199   5.478
  594    H3'   DT   9           H3'       DT   9  -6.701  11.094   6.791
  595    H2'   DT   9           H2'       DT   9  -7.432   8.914   6.049
  596   H2''   DT   9          H2''       DT   9  -8.255   9.950   4.894
  597    H1'   DT   9           H1'       DT   9  -6.550   9.671   3.222
  598    H3    DT   9           H3        DT   9  -6.663   5.731   1.296
  599    H71   DT   9           H71       DT   9  -7.672   3.615   5.240
  600    H72   DT   9           H72       DT   9  -7.531   4.870   6.491
  601    H73   DT   9           H73       DT   9  -6.080   4.009   5.931
  602    H6    DT   9           H6        DT   9  -6.636   7.065   5.869
  603    H5'   DT  10           H5'       DT  10  -6.577  11.119   2.476
  604   H5''   DT  10          H5''       DT  10  -6.433  12.898   2.481
  605    H4'   DT  10           H4'       DT  10  -6.689  12.559   0.223
  606    H3'   DT  10           H3'       DT  10  -8.732  13.735   1.448
  607    H2'   DT  10           H2'       DT  10  -9.957  11.759   2.060
  608   H2''   DT  10          H2''       DT  10 -10.777  12.225   0.584
  609    H1'   DT  10           H1'       DT  10  -9.469  10.654  -0.768
  610    H3    DT  10           H3        DT  10 -10.199   6.301   0.097
  611    H71   DT  10           H71       DT  10 -11.439   7.858   4.533
  612    H72   DT  10           H72       DT  10  -9.768   7.280   4.732
  613    H73   DT  10           H73       DT  10 -10.117   9.025   4.775
  614    H6    DT  10           H6        DT  10  -9.748  10.190   2.826
  615    H5'   DC  11           H5'       DC  11  -9.093  11.879  -2.651
  616   H5''   DC  11          H5''       DC  11  -8.856  13.462  -3.422
  617    H4'   DC  11           H4'       DC  11  -9.259  12.198  -5.269
  618    H3'   DC  11           H3'       DC  11 -11.298  13.849  -4.892
  619    H2'   DC  11           H2'       DC  11 -12.691  12.497  -3.500
  620   H2''   DC  11          H2''       DC  11 -13.364  12.099  -5.074
  621    H1'   DC  11           H1'       DC  11 -12.200  10.030  -5.203
  622    H41   DC  11           H41       DC  11 -13.596   8.297   1.036
  623    H42   DC  11           H42       DC  11 -13.708   6.858   0.048
  624    H5    DC  11           H5        DC  11 -12.923  10.450   0.164
  625    H6    DC  11           H6        DC  11 -12.211  11.647  -1.872
  626    H5'   DA  12           H5'       DA  12 -11.981  10.021  -7.124
  627   H5''   DA  12          H5''       DA  12 -11.807  10.799  -8.712
  628    H4'   DA  12           H4'       DA  12 -12.563   8.758  -9.371
  629    H3'   DA  12           H3'       DA  12 -14.440  10.560  -9.850
  630    H2'   DA  12           H2'       DA  12 -15.642  10.488  -7.789
  631   H2''   DA  12          H2''       DA  12 -16.579   9.328  -8.718
  632    H1'   DA  12           H1'       DA  12 -15.536   7.456  -7.707
  633    H8    DA  12           H8        DA  12 -15.035  10.726  -5.568
  634    H61   DA  12           H61       DA  12 -16.592   8.844  -1.388
  635    H62   DA  12           H62       DA  12 -17.076   7.236  -0.896
  636    H2    DA  12           H2        DA  12 -16.630   4.622  -4.513
  637    H5'   DC  13           H5'       DC  13 -15.516   6.454  -9.115
  638   H5''   DC  13          H5''       DC  13 -15.344   6.203 -10.865
  639    H4'   DC  13           H4'       DC  13 -16.334   4.236 -10.294
  640    H3'   DC  13           H3'       DC  13 -18.038   5.674 -11.724
  641    H2'   DC  13           H2'       DC  13 -19.140   6.886  -9.983
  642   H2''   DC  13          H2''       DC  13 -20.234   5.518 -10.139
  643    H1'   DC  13           H1'       DC  13 -19.342   4.413  -8.228
  644    H41   DC  13           H41       DC  13 -19.218   9.892  -4.507
  645    H42   DC  13           H42       DC  13 -19.737   8.570  -3.487
  646    H5    DC  13           H5        DC  13 -18.589   9.606  -6.828
  647    H6    DC  13           H6        DC  13 -18.316   7.950  -8.633
  648    H5'   DG  14           H5'       DG  14 -25.181   4.382   2.549
  649   H5''   DG  14          H5''       DG  14 -25.505   3.392   3.988
  650    H4'   DG  14           H4'       DG  14 -24.758   1.770   2.575
  651    H3'   DG  14           H3'       DG  14 -22.964   2.125   4.489
  652    H2'   DG  14           H2'       DG  14 -21.596   3.812   3.491
  653   H2''   DG  14          H2''       DG  14 -20.716   2.375   2.990
  654    H1'   DG  14           H1'       DG  14 -21.631   2.412   0.795
  655    H8    DG  14           H8        DG  14 -22.064   5.818   2.654
  656    H1    DG  14           H1        DG  14 -20.066   6.137  -3.433
  657    H21   DG  14           H21       DG  14 -20.543   2.710  -3.462
  658    H22   DG  14           H22       DG  14 -20.077   4.143  -4.349
  659    H5'   DT  15           H5'       DT  15 -21.639   0.505   0.521
  660   H5''   DT  15          H5''       DT  15 -21.722  -1.173   1.099
  661    H4'   DT  15           H4'       DT  15 -20.669  -1.509  -0.891
  662    H3'   DT  15           H3'       DT  15 -18.965  -2.008   1.074
  663    H2'   DT  15           H2'       DT  15 -18.007   0.157   1.370
  664   H2''   DT  15          H2''       DT  15 -16.844  -0.532   0.248
  665    H1'   DT  15           H1'       DT  15 -17.774   0.585  -1.627
  666    H3    DT  15           H3        DT  15 -17.326   4.990  -1.603
  667    H71   DT  15           H71       DT  15 -17.907   5.012   3.055
  668    H72   DT  15           H72       DT  15 -18.873   3.548   3.353
  669    H73   DT  15           H73       DT  15 -19.641   4.995   2.659
  670    H6    DT  15           H6        DT  15 -18.923   1.910   1.706
  671    H5'   DG  16           H5'       DG  16 -17.538  -0.672  -2.783
  672   H5''   DG  16          H5''       DG  16 -17.489  -2.380  -3.264
  673    H4'   DG  16           H4'       DG  16 -16.373  -1.460  -5.023
  674    H3'   DG  16           H3'       DG  16 -14.677  -2.893  -3.579
  675    H2'   DG  16           H2'       DG  16 -13.899  -1.232  -2.046
  676   H2''   DG  16          H2''       DG  16 -12.667  -1.090  -3.292
  677    H1'   DG  16           H1'       DG  16 -13.648   0.846  -4.246
  678    H8    DG  16           H8        DG  16 -14.987   0.131  -0.653
  679    H1    DG  16           H1        DG  16 -13.414   6.216  -1.935
  680    H21   DG  16           H21       DG  16 -12.880   5.091  -5.165
  681    H22   DG  16           H22       DG  16 -12.868   6.435  -4.046
  682    H5'   DA  17           H5'       DA  17 -13.405   0.398  -5.827
  683   H5''   DA  17          H5''       DA  17 -13.060  -0.344  -7.417
  684    H4'   DA  17           H4'       DA  17 -12.143   1.747  -7.760
  685    H3'   DA  17           H3'       DA  17 -10.382  -0.266  -7.593
  686    H2'   DA  17           H2'       DA  17 -10.007  -0.200  -5.214
  687   H2''   DA  17          H2''       DA  17  -8.680   0.810  -5.762
  688    H1'   DA  17           H1'       DA  17  -9.832   2.850  -5.298
  689    H8    DA  17           H8        DA  17 -11.080  -0.249  -3.264
  690    H61   DA  17           H61       DA  17 -11.225   2.016   1.129
  691    H62   DA  17           H62       DA  17 -10.930   3.655   1.600
  692    H2    DA  17           H2        DA  17  -9.937   5.951  -2.140
  693    H5'   DA  18           H5'       DA  18  -9.145   4.042  -7.110
  694   H5''   DA  18          H5''       DA  18  -8.579   4.099  -8.798
  695    H4'   DA  18           H4'       DA  18  -7.765   6.099  -8.059
  696    H3'   DA  18           H3'       DA  18  -5.770   4.416  -8.545
  697    H2'   DA  18           H2'       DA  18  -5.664   3.355  -6.389
  698   H2''   DA  18          H2''       DA  18  -4.417   4.579  -6.237
  699    H1'   DA  18           H1'       DA  18  -5.845   6.057  -5.027
  700    H8    DA  18           H8        DA  18  -7.009   2.363  -5.084
  701    H61   DA  18           H61       DA  18  -7.288   1.882  -0.284
  702    H62   DA  18           H62       DA  18  -7.151   2.993   1.059
  703    H2    DA  18           H2        DA  18  -6.341   7.030  -0.775
  704    H5'   DC  19           H5'       DC  19  -5.158   8.078  -5.539
  705   H5''   DC  19          H5''       DC  19  -4.893   8.856  -7.115
  706    H4'   DC  19           H4'       DC  19  -4.298  10.581  -5.767
  707    H3'   DC  19           H3'       DC  19  -2.140   9.617  -6.992
  708    H2'   DC  19           H2'       DC  19  -1.557   7.934  -5.381
  709   H2''   DC  19          H2''       DC  19  -0.559   9.258  -4.798
  710    H1'   DC  19           H1'       DC  19  -2.037   9.825  -3.030
  711    H41   DC  19           H41       DC  19  -2.352   3.435  -1.245
  712    H42   DC  19           H42       DC  19  -2.501   4.358   0.232
  713    H5    DC  19           H5        DC  19  -2.315   4.455  -3.436
  714    H6    DC  19           H6        DC  19  -2.376   6.559  -4.667
  715    H5'   DT  20           H5'       DT  20  -1.814  12.154  -3.105
  716   H5''   DT  20          H5''       DT  20  -1.320  13.672  -3.897
  717    H4'   DT  20           H4'       DT  20  -0.848  14.202  -1.718
  718    H3'   DT  20           H3'       DT  20   1.373  13.980  -3.165
  719    H2'   DT  20           H2'       DT  20   1.804  11.625  -2.847
  720   H2''   DT  20          H2''       DT  20   2.792  12.328  -1.572
  721    H1'   DT  20           H1'       DT  20   1.196  11.886   0.118
  722    H3    DT  20           H3        DT  20   0.624   7.504   0.766
  723    H71   DT  20           H71       DT  20   1.912   7.481  -3.435
  724    H72   DT  20           H72       DT  20   1.463   7.966  -4.673
  725    H73   DT  20           H73       DT  20   0.377   8.592  -4.043
  726    H6    DT  20           H6        DT  20   0.857  10.255  -3.118
  727    H5'   DT  21           H5'       DT  21   1.245  13.219   0.917
  728   H5''   DT  21          H5''       DT  21   1.336  14.918   1.444
  729    H4'   DT  21           H4'       DT  21   1.430  13.885   3.506
  730    H3'   DT  21           H3'       DT  21   3.632  15.099   2.644
  731    H2'   DT  21           H2'       DT  21   4.679  13.252   1.525
  732   H2''   DT  21          H2''       DT  21   5.463  13.181   3.095
  733    H1'   DT  21           H1'       DT  21   3.926  11.464   3.907
  734    H3    DT  21           H3        DT  21   4.365   7.515   1.743
  735    H71   DT  21           H71       DT  21   5.844  10.201  -1.965
  736    H72   DT  21           H72       DT  21   4.113  10.028  -2.340
  737    H73   DT  21           H73       DT  21   4.752  11.595  -1.790
  738    H6    DT  21           H6        DT  21   4.296  12.086   0.380
  739    H5'   DT  22           H5'       DT  22   3.877  12.064   5.950
  740   H5''   DT  22          H5''       DT  22   3.905  13.308   7.218
  741    H4'   DT  22           H4'       DT  22   4.310  11.464   8.489
  742    H3'   DT  22           H3'       DT  22   6.498  12.953   8.419
  743    H2'   DT  22           H2'       DT  22   7.581  12.036   6.498
  744   H2''   DT  22          H2''       DT  22   8.335  11.066   7.755
  745    H1'   DT  22           H1'       DT  22   6.933   9.196   7.353
  746    H3    DT  22           H3        DT  22   7.537   7.212   3.444
  747    H71   DT  22           H71       DT  22   8.480  11.451   2.320
  748    H72   DT  22           H72       DT  22   6.561  11.904   2.569
  749    H73   DT  22           H73       DT  22   7.693  12.593   2.098
  750    H6    DT  22           H6        DT  22   6.867  11.806   4.636
  751    H5'   DC  23           H5'       DC  23   6.773   8.677   8.985
  752   H5''   DC  23          H5''       DC  23   6.619   8.995  10.726
  753    H4'   DC  23           H4'       DC  23   7.202   6.797  10.796
  754    H3'   DC  23           H3'       DC  23   9.202   8.242  11.760
  755    H2'   DC  23           H2'       DC  23  10.444   8.643   9.759
  756   H2''   DC  23          H2''       DC  23  11.267   7.202  10.331
  757    H1'   DC  23           H1'       DC  23  10.103   5.772   8.831
  758    H41   DC  23           H41       DC  23  10.871   9.809   3.635
  759    H42   DC  23           H42       DC  23  11.093   8.169   3.069
  760    H5    DC  23           H5        DC  23  10.287  10.351   5.919
  761    H6    DC  23           H6        DC  23   9.778   9.395   8.134
  762    H5'   DG  24           H5'       DG  24  10.062   4.389   9.807
  763   H5''   DG  24          H5''       DG  24   9.928   3.611  11.399
  764    H4'   DG  24           H4'       DG  24  10.721   1.855  10.184
  765    H3'   DG  24           H3'       DG  24  12.597   2.642  11.879
  766    H2'   DG  24           H2'       DG  24  13.737   4.257  10.539
  767   H2''   DG  24          H2''       DG  24  14.714   2.842  10.184
  768    H1'   DG  24           H1'       DG  24  13.656   2.458   8.092
  769    H8    DG  24           H8        DG  24  13.014   6.063   9.445
  770    H1    DG  24           H1        DG  24  14.609   5.592   3.245
  771    H21   DG  24           H21       DG  24  14.434   2.176   3.766
  772    H22   DG  24           H22       DG  24  14.750   3.487   2.652
  773    H5'   DG  25           H5'       DG  25  13.778   0.767   8.088
  774   H5''   DG  25          H5''       DG  25  13.767  -0.797   8.930
  775    H4'   DG  25           H4'       DG  25  14.685  -1.440   6.951
  776    H3'   DG  25           H3'       DG  25  16.530  -1.604   8.842
  777    H2'   DG  25           H2'       DG  25  17.469   0.591   8.720
  778   H2''   DG  25          H2''       DG  25  18.562  -0.264   7.641
  779    H1'   DG  25           H1'       DG  25  17.483   0.543   5.684
  780    H8    DG  25           H8        DG  25  16.541   2.616   8.856
  781    H1    DG  25           H1        DG  25  17.979   5.982   3.584
  782    H21   DG  25           H21       DG  25  18.149   2.897   2.021
  783    H22   DG  25           H22       DG  25  18.305   4.634   1.882
  784    H5'   DT  26           H5'       DT  26  17.812  -1.003   4.586
  785   H5''   DT  26          H5''       DT  26  18.093  -2.742   4.352
  786    H4'   DT  26           H4'       DT  26  19.028  -1.946   2.434
  787    H3'   DT  26           H3'       DT  26  20.946  -2.898   3.991
  788   HO3'   DT  26          HO3'       DT  26  21.092  -2.808   1.675
  789    H2'   DT  26           H2'       DT  26  21.507  -0.938   5.234
  790   H2''   DT  26          H2''       DT  26  22.680  -0.816   3.930
  791    H1'   DT  26           H1'       DT  26  21.407   0.801   2.747
  792    H3    DT  26           H3        DT  26  21.030   4.730   4.750
  793    H71   DT  26           H71       DT  26  19.422   2.814   8.666
  794    H72   DT  26           H72       DT  26  19.635   1.065   8.415
  795    H73   DT  26           H73       DT  26  21.028   2.074   8.870
  796    H6    DT  26           H6        DT  26  20.297   0.261   6.305